Methane

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Gas phase ion energetics data

Go To: Top, Ion clustering data, Mass spectrum (electron ionization), References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to CH4+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)12.61 ± 0.01eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)543.5kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity520.6kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
12.61 ± 0.01PIBerkowitz, Greene, et al., 1987LBLHLM
12.6 ± 0.4EIChatham, Hils, et al., 1984LBLHLM
12.63 ± 0.02EIPlessis, Marmet, et al., 1983LBLHLM
13.6PEKimura, Katsumata, et al., 1981LLK
12.75 ± 0.02PEBieri, Burger, et al., 1977LLK
12.82 ± 0.02EISelim and El-Kholy, 1975LLK
12.6PEDebies and Rabalais, 1975LLK
12.6PIRabalais, Debies, et al., 1974LLK
12.8EIMorrison and Traeger, 1973LLK
12.64PEPotts and Price, 1972LLK
12.94 ± 0.04EIFinney and Harrison, 1972LLK
12.51PEBergmark, Rabalais, et al., 1972LLK
~12.51PERabalais, Bergmark, et al., 1971LLK
≤12.615 ± 0.010PIChupka and Berkowitz, 1971LLK
12.78PEPullen, Carlson, et al., 1970RDSH
12.75PEBrundle, Robin, et al., 1970RDSH
≤12.70EILossing and Semeluk, 1969RDSH
12.99 ± 0.05EIWilliams and Hamill, 1968RDSH
12.75 ± 0.05TEVillarejo, Stockbauer, et al., 1968RDSH
12.9CICermak, 1968RDSH
12.70PEBaker, Baker, et al., 1968RDSH
12.55 ± 0.05PIBrehm, 1966RDSH
12.704 ± 0.008PINicholson, 1965RDSH
12.71 ± 0.02PIDibeler, Krauss, et al., 1965RDSH
13.00 ± 0.02EIMelton and Hamill, 1964RDSH
13.6PEBieri and Asbrink, 1980Vertical value; LLK
13.6 ± 0.1PEBieri, Burger, et al., 1977Vertical value; LLK
13.60EIHarshbarger, Robin, et al., 1973Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C+25. ± 2.?EIChatham, Hils, et al., 1984LBLHLM
C+19.56 ± 0.202H2EIPlessis, Marmet, et al., 1983LBLHLM
C+≤25.2?EIMorrison and Traeger, 1973LLK
CH+22.2 ± 0.4?EIChatham, Hils, et al., 1984LBLHLM
CH+19.11 ± 0.20H-+H2EIPlessis, Marmet, et al., 1983LBLHLM
CH+19.87 ± 0.20H+H2EIPlessis, Marmet, et al., 1983LBLHLM
CH+22.4H2+H?EIMorrison and Traeger, 1973LLK
CH2+15.1 ± 0.4H2EIChatham, Hils, et al., 1984LBLHLM
CH2+15.06 ± 0.02H2EIPlessis, Marmet, et al., 1983LBLHLM
CH2+15.16 ± 0.02H2PIMcCulloh and Dibeler, 1976T = 0K; LLK
CH2+15.3H2EIMorrison and Traeger, 1973LLK
CH2+15.19 ± 0.02H2PIChupka, 1968RDSH
CH2+15.16 ± 0.04H2PIDibeler, Krauss, et al., 1965RDSH
CH3+14.3 ± 0.4HEIChatham, Hils, et al., 1984LBLHLM
CH3+13.25 ± 0.08H-EIPlessis, Marmet, et al., 1983LBLHLM
CH3+14.01 ± 0.08HEIPlessis, Marmet, et al., 1983LBLHLM
CH3+14.30HPIPECOStockbauer, 1977LLK
CH3+14.324 ± 0.003HPIMcCulloh and Dibeler, 1976T = 0K; LLK
CH3+14.4HEIMorrison and Traeger, 1973LLK
CH3+14.30HEILossing and Semeluk, 1970RDSH
CH3+14.24 ± 0.05HEIWilliams and Hamill, 1968RDSH
CH3+13.50 ± 0.05H-PIChupka, 1968RDSH
CH3+14.320 ± 0.004HPIChupka, 1968RDSH
CH3+14.23 ± 0.05HPIBrehm, 1966RDSH
CH3+14.25 ± 0.02HPIDibeler, Krauss, et al., 1965RDSH
H+21.3 ± 0.3CH3EILocht, Olivier, et al., 1979LLK
H+24.0 ± 0.5CH3EIAppell and Kubach, 1971LLK

De-protonation reactions

CH3- + Hydrogen cation = Methane

By formula: CH3- + H+ = CH4

Quantity Value Units Method Reference Comment
Δr1743.6 ± 2.9kJ/molD-EAEllison, Engelking, et al., 1978gas phase; B
Δr1749. ± 15.kJ/molCIDTGraul and Squires, 1990gas phase; B
Δr>1691.1 ± 0.42kJ/molG+TSBohme, Lee-Ruff, et al., 1972gas phase; B
Δr1735.5kJ/molN/ACheck, Faust, et al., 2001gas phase; FeBr3; ; ΔS(EA)=9.3; B
Quantity Value Units Method Reference Comment
Δr1709.8 ± 3.3kJ/molH-TSEllison, Engelking, et al., 1978gas phase; B
Δr1715. ± 15.kJ/molH-TSGraul and Squires, 1990gas phase; B
Δr>1657.3kJ/molIMRBBohme, Lee-Ruff, et al., 1972gas phase; B
Δr1704.1kJ/molN/ACheck, Faust, et al., 2001gas phase; FeBr3; ; ΔS(EA)=9.3; B

Ion clustering data

Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
RCD - Robert C. Dunbar

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

Bromine anion + Methane = CH4Br-

By formula: Br- + CH4 = CH4Br-

Quantity Value Units Method Reference Comment
Δr13.0kJ/molN/AHiraoka, Mizuno, et al., 2001gas phase; B
Quantity Value Units Method Reference Comment
Δr-9.50kJ/molTDAsHiraoka, Mizuno, et al., 2001gas phase; B

Trifluoromethyl cation + Methane = (Trifluoromethyl cation • Methane)

By formula: CF3+ + CH4 = (CF3+ • CH4)

Quantity Value Units Method Reference Comment
Δr19.kJ/molHPMSBennet and Field, 1972gas phase; M
Quantity Value Units Method Reference Comment
Δr78.7J/mol*KHPMSBennet and Field, 1972gas phase; M

CH4Cl- + 2Methane = C2H8Cl-

By formula: CH4Cl- + 2CH4 = C2H8Cl-

Quantity Value Units Method Reference Comment
Δr14.6kJ/molN/AHiraoka, Mizuno, et al., 2001gas phase; B
Quantity Value Units Method Reference Comment
Δr-12.8kJ/molTDAsHiraoka, Mizuno, et al., 2001gas phase; B

CH4F- + 2Methane = C2H8F-

By formula: CH4F- + 2CH4 = C2H8F-

Quantity Value Units Method Reference Comment
Δr24.7kJ/molN/AHiraoka, Mizuno, et al., 2001gas phase; B
Quantity Value Units Method Reference Comment
Δr-1.5kJ/molTDAsHiraoka, Mizuno, et al., 2001gas phase; B

CH5+ + Methane = (CH5+ • Methane)

By formula: CH5+ + CH4 = (CH5+ • CH4)

Quantity Value Units Method Reference Comment
Δr29. ± 1.kJ/molPHPMSHiraoka and Mori, 1989gas phase; M
Δr31.kJ/molPHPMSHiraoka and Kebarle, 1975gas phase; M
Δr17.kJ/molHPMSField and Beggs, 1971gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Δr92.5J/mol*KPHPMSHiraoka and Mori, 1989gas phase; M
Δr87.0J/mol*KPHPMSHiraoka and Kebarle, 1975gas phase; M
Δr51.9J/mol*KHPMSField and Beggs, 1971gas phase; Entropy change is questionable; M

(CH5+ • Methane) + Methane = (CH5+ • 2Methane)

By formula: (CH5+ • CH4) + CH4 = (CH5+ • 2CH4)

Quantity Value Units Method Reference Comment
Δr22. ± 1.kJ/molPHPMSHiraoka and Mori, 1989gas phase; M
Δr25.kJ/molPHPMSHiraoka and Kebarle, 1975gas phase; M
Δr6.3kJ/molHPMSField and Beggs, 1971gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Δr104.J/mol*KPHPMSHiraoka and Mori, 1989gas phase; M
Δr102.J/mol*KPHPMSHiraoka and Kebarle, 1975gas phase; M
Δr30.J/mol*KHPMSField and Beggs, 1971gas phase; Entropy change is questionable; M

(CH5+ • 2Methane) + Methane = (CH5+ • 3Methane)

By formula: (CH5+ • 2CH4) + CH4 = (CH5+ • 3CH4)

Quantity Value Units Method Reference Comment
Δr13.1 ± 0.8kJ/molPHPMSHiraoka and Mori, 1989gas phase; M
Δr17.kJ/molPHPMSHiraoka and Kebarle, 1975gas phase; M
Quantity Value Units Method Reference Comment
Δr93.7J/mol*KPHPMSHiraoka and Mori, 1989gas phase; M
Δr109.J/mol*KPHPMSHiraoka and Kebarle, 1975gas phase; M

(CH5+ • 3Methane) + Methane = (CH5+ • 4Methane)

By formula: (CH5+ • 3CH4) + CH4 = (CH5+ • 4CH4)

Quantity Value Units Method Reference Comment
Δr12.6 ± 0.8kJ/molPHPMSHiraoka and Mori, 1989gas phase; M
Δr16.kJ/molPHPMSHiraoka and Kebarle, 1975gas phase; M
Quantity Value Units Method Reference Comment
Δr99.2J/mol*KPHPMSHiraoka and Mori, 1989gas phase; M
Δr111.J/mol*KPHPMSHiraoka and Kebarle, 1975gas phase; M

(CH5+ • 4Methane) + Methane = (CH5+ • 5Methane)

By formula: (CH5+ • 4CH4) + CH4 = (CH5+ • 5CH4)

Quantity Value Units Method Reference Comment
Δr11.7 ± 0.8kJ/molPHPMSHiraoka and Mori, 1989gas phase; M
Quantity Value Units Method Reference Comment
Δr104.J/mol*KPHPMSHiraoka and Mori, 1989gas phase; M

(CH5+ • 5Methane) + Methane = (CH5+ • 6Methane)

By formula: (CH5+ • 5CH4) + CH4 = (CH5+ • 6CH4)

Quantity Value Units Method Reference Comment
Δr11.3 ± 0.8kJ/molPHPMSHiraoka and Mori, 1989gas phase; M
Quantity Value Units Method Reference Comment
Δr106.J/mol*KPHPMSHiraoka and Mori, 1989gas phase; M

(CH5+ • 6Methane) + Methane = (CH5+ • 7Methane)

By formula: (CH5+ • 6CH4) + CH4 = (CH5+ • 7CH4)

Quantity Value Units Method Reference Comment
Δr11.2 ± 0.8kJ/molPHPMSHiraoka and Mori, 1989gas phase; M
Quantity Value Units Method Reference Comment
Δr111.J/mol*KPHPMSHiraoka and Mori, 1989gas phase; M

(CH5+ • 7Methane) + Methane = (CH5+ • 8Methane)

By formula: (CH5+ • 7CH4) + CH4 = (CH5+ • 8CH4)

Quantity Value Units Method Reference Comment
Δr8.5 ± 0.8kJ/molPHPMSHiraoka and Mori, 1989gas phase; M
Quantity Value Units Method Reference Comment
Δr90.4J/mol*KPHPMSHiraoka and Mori, 1989gas phase; M

(CH5+ • 8Methane) + Methane = (CH5+ • 9Methane)

By formula: (CH5+ • 8CH4) + CH4 = (CH5+ • 9CH4)

Quantity Value Units Method Reference Comment
Δr6.44kJ/molPHPMSHiraoka and Mori, 1989gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr84.J/mol*KN/AHiraoka and Mori, 1989gas phase; Entropy change calculated or estimated; M

C2H5+ + Methane = (C2H5+ • Methane)

By formula: C2H5+ + CH4 = (C2H5+ • CH4)

Quantity Value Units Method Reference Comment
Δr23.0kJ/molPHPMSHiraoka, Mori, et al., 1993gas phase; M
Δr28.kJ/molPHPMSHiroka and Kebarle, 1975gas phase; M
Δr10.kJ/molHPMSField and Beggs, 1971gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Δr92.9J/mol*KPHPMSHiraoka, Mori, et al., 1993gas phase; M
Δr97.9J/mol*KPHPMSHiroka and Kebarle, 1975gas phase; M
Δr36.J/mol*KHPMSField and Beggs, 1971gas phase; Entropy change is questionable; M

(C2H5+ • Methane) + Methane = (C2H5+ • 2Methane)

By formula: (C2H5+ • CH4) + CH4 = (C2H5+ • 2CH4)

Quantity Value Units Method Reference Comment
Δr9.92kJ/molPHPMSHiraoka, Mori, et al., 1993gas phase; M
Quantity Value Units Method Reference Comment
Δr67.4J/mol*KPHPMSHiraoka, Mori, et al., 1993gas phase; M

(C2H5+ • 2Methane) + Methane = (C2H5+ • 3Methane)

By formula: (C2H5+ • 2CH4) + CH4 = (C2H5+ • 3CH4)

Quantity Value Units Method Reference Comment
Δr9.54kJ/molPHPMSHiraoka, Mori, et al., 1993gas phase; M
Quantity Value Units Method Reference Comment
Δr74.9J/mol*KPHPMSHiraoka, Mori, et al., 1993gas phase; M

(C2H5+ • 3Methane) + Methane = (C2H5+ • 4Methane)

By formula: (C2H5+ • 3CH4) + CH4 = (C2H5+ • 4CH4)

Quantity Value Units Method Reference Comment
Δr9.46kJ/molPHPMSHiraoka, Mori, et al., 1993gas phase; M
Quantity Value Units Method Reference Comment
Δr77.0J/mol*KPHPMSHiraoka, Mori, et al., 1993gas phase; M

(C2H5+ • 4Methane) + Methane = (C2H5+ • 5Methane)

By formula: (C2H5+ • 4CH4) + CH4 = (C2H5+ • 5CH4)

Quantity Value Units Method Reference Comment
Δr9.29kJ/molPHPMSHiraoka, Mori, et al., 1993gas phase; M
Quantity Value Units Method Reference Comment
Δr79.1J/mol*KPHPMSHiraoka, Mori, et al., 1993gas phase; M

(C2H5+ • 5Methane) + Methane = (C2H5+ • 6Methane)

By formula: (C2H5+ • 5CH4) + CH4 = (C2H5+ • 6CH4)

Quantity Value Units Method Reference Comment
Δr9.25kJ/molPHPMSHiraoka, Mori, et al., 1993gas phase; M
Quantity Value Units Method Reference Comment
Δr81.2J/mol*KPHPMSHiraoka, Mori, et al., 1993gas phase; M

(C2H5+ • 6Methane) + Methane = (C2H5+ • 7Methane)

By formula: (C2H5+ • 6CH4) + CH4 = (C2H5+ • 7CH4)

Quantity Value Units Method Reference Comment
Δr8.91kJ/molPHPMSHiraoka, Mori, et al., 1993gas phase; M
Quantity Value Units Method Reference Comment
Δr86.6J/mol*KPHPMSHiraoka, Mori, et al., 1993gas phase; M

(C2H5+ • 7Methane) + Methane = (C2H5+ • 8Methane)

By formula: (C2H5+ • 7CH4) + CH4 = (C2H5+ • 8CH4)

Quantity Value Units Method Reference Comment
Δr8.79kJ/molPHPMSHiraoka, Mori, et al., 1993gas phase; M
Quantity Value Units Method Reference Comment
Δr87.9J/mol*KPHPMSHiraoka, Mori, et al., 1993gas phase; M

(C2H5+ • 8Methane) + Methane = (C2H5+ • 9Methane)

By formula: (C2H5+ • 8CH4) + CH4 = (C2H5+ • 9CH4)

Quantity Value Units Method Reference Comment
Δr8.70kJ/molPHPMSHiraoka, Mori, et al., 1993gas phase; M
Quantity Value Units Method Reference Comment
Δr91.2J/mol*KPHPMSHiraoka, Mori, et al., 1993gas phase; M

(C2H5+ • 9Methane) + Methane = (C2H5+ • 10Methane)

By formula: (C2H5+ • 9CH4) + CH4 = (C2H5+ • 10CH4)

Quantity Value Units Method Reference Comment
Δr7.99kJ/molPHPMSHiraoka, Mori, et al., 1993gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr92.J/mol*KN/AHiraoka, Mori, et al., 1993gas phase; Entropy change calculated or estimated; M

C2H8F- + 3Methane = C3H12F-

By formula: C2H8F- + 3CH4 = C3H12F-

Quantity Value Units Method Reference Comment
Δr23.0kJ/molN/AHiraoka, Mizuno, et al., 2001gas phase; B
Quantity Value Units Method Reference Comment
Δr-5.69kJ/molTDAsHiraoka, Mizuno, et al., 2001gas phase; B

C3H7+ + Methane = (C3H7+ • Methane)

By formula: C3H7+ + CH4 = (C3H7+ • CH4)

Quantity Value Units Method Reference Comment
Δr10.8kJ/molPHPMSHiraoka, Mori, et al., 1993gas phase; M
Δr14.kJ/molPHPMSHiraoka and Kebarle, 1976gas phase; M
Quantity Value Units Method Reference Comment
Δr72.8J/mol*KPHPMSHiraoka, Mori, et al., 1993gas phase; M
Δr84.J/mol*KPHPMSHiraoka and Kebarle, 1976gas phase; M

(C3H7+ • Methane) + Methane = (C3H7+ • 2Methane)

By formula: (C3H7+ • CH4) + CH4 = (C3H7+ • 2CH4)

Quantity Value Units Method Reference Comment
Δr10.3kJ/molPHPMSHiraoka, Mori, et al., 1993gas phase; M
Quantity Value Units Method Reference Comment
Δr79.5J/mol*KPHPMSHiraoka, Mori, et al., 1993gas phase; M

(C3H7+ • 2Methane) + Methane = (C3H7+ • 3Methane)

By formula: (C3H7+ • 2CH4) + CH4 = (C3H7+ • 3CH4)

Quantity Value Units Method Reference Comment
Δr9.46kJ/molPHPMSHiraoka, Mori, et al., 1993gas phase; M
Quantity Value Units Method Reference Comment
Δr77.0J/mol*KPHPMSHiraoka, Mori, et al., 1993gas phase; M

(C3H7+ • 3Methane) + Methane = (C3H7+ • 4Methane)

By formula: (C3H7+ • 3CH4) + CH4 = (C3H7+ • 4CH4)

Quantity Value Units Method Reference Comment
Δr9.20kJ/molPHPMSHiraoka, Mori, et al., 1993gas phase; M
Quantity Value Units Method Reference Comment
Δr79.5J/mol*KPHPMSHiraoka, Mori, et al., 1993gas phase; M

(C3H7+ • 4Methane) + Methane = (C3H7+ • 5Methane)

By formula: (C3H7+ • 4CH4) + CH4 = (C3H7+ • 5CH4)

Quantity Value Units Method Reference Comment
Δr9.20kJ/molPHPMSHiraoka, Mori, et al., 1993gas phase; M
Quantity Value Units Method Reference Comment
Δr87.4J/mol*KPHPMSHiraoka, Mori, et al., 1993gas phase; M

(C3H7+ • 5Methane) + Methane = (C3H7+ • 6Methane)

By formula: (C3H7+ • 5CH4) + CH4 = (C3H7+ • 6CH4)

Quantity Value Units Method Reference Comment
Δr9.16kJ/molPHPMSHiraoka, Mori, et al., 1993gas phase; M
Quantity Value Units Method Reference Comment
Δr87.9J/mol*KPHPMSHiraoka, Mori, et al., 1993gas phase; M

(C3H7+ • 6Methane) + Methane = (C3H7+ • 7Methane)

By formula: (C3H7+ • 6CH4) + CH4 = (C3H7+ • 7CH4)

Quantity Value Units Method Reference Comment
Δr9.04kJ/molPHPMSHiraoka, Mori, et al., 1993gas phase; M
Quantity Value Units Method Reference Comment
Δr91.2J/mol*KPHPMSHiraoka, Mori, et al., 1993gas phase; M

(C3H7+ • 7Methane) + Methane = (C3H7+ • 8Methane)

By formula: (C3H7+ • 7CH4) + CH4 = (C3H7+ • 8CH4)

Quantity Value Units Method Reference Comment
Δr8.28kJ/molPHPMSHiraoka, Mori, et al., 1993gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr92.J/mol*KN/AHiraoka, Mori, et al., 1993gas phase; Entropy change calculated or estimated; M

C3H12F- + 4Methane = C4H16F-

By formula: C3H12F- + 4CH4 = C4H16F-

Quantity Value Units Method Reference Comment
Δr20.9kJ/molN/AHiraoka, Mizuno, et al., 2001gas phase; B
Quantity Value Units Method Reference Comment
Δr-9.04kJ/molTDAsHiraoka, Mizuno, et al., 2001gas phase; B

C4H9+ + Methane = (C4H9+ • Methane)

By formula: C4H9+ + CH4 = (C4H9+ • CH4)

Quantity Value Units Method Reference Comment
Δr10.4kJ/molPHPMSHiraoka, Mori, et al., 1993gas phase; M
Quantity Value Units Method Reference Comment
Δr81.6J/mol*KPHPMSHiraoka, Mori, et al., 1993gas phase; M

(C4H9+ • Methane) + Methane = (C4H9+ • 2Methane)

By formula: (C4H9+ • CH4) + CH4 = (C4H9+ • 2CH4)

Quantity Value Units Method Reference Comment
Δr10.0kJ/molPHPMSHiraoka, Mori, et al., 1993gas phase; M
Quantity Value Units Method Reference Comment
Δr81.2J/mol*KPHPMSHiraoka, Mori, et al., 1993gas phase; M

(C4H9+ • 2Methane) + Methane = (C4H9+ • 3Methane)

By formula: (C4H9+ • 2CH4) + CH4 = (C4H9+ • 3CH4)

Quantity Value Units Method Reference Comment
Δr9.92kJ/molPHPMSHiraoka, Mori, et al., 1993gas phase; M
Quantity Value Units Method Reference Comment
Δr82.4J/mol*KPHPMSHiraoka, Mori, et al., 1993gas phase; M

(C4H9+ • 3Methane) + Methane = (C4H9+ • 4Methane)

By formula: (C4H9+ • 3CH4) + CH4 = (C4H9+ • 4CH4)

Quantity Value Units Method Reference Comment
Δr9.87kJ/molPHPMSHiraoka, Mori, et al., 1993gas phase; M
Quantity Value Units Method Reference Comment
Δr83.7J/mol*KPHPMSHiraoka, Mori, et al., 1993gas phase; M

(C4H9+ • 4Methane) + Methane = (C4H9+ • 5Methane)

By formula: (C4H9+ • 4CH4) + CH4 = (C4H9+ • 5CH4)

Quantity Value Units Method Reference Comment
Δr9.25kJ/molPHPMSHiraoka, Mori, et al., 1993gas phase; M
Quantity Value Units Method Reference Comment
Δr81.2J/mol*KPHPMSHiraoka, Mori, et al., 1993gas phase; M

(C4H9+ • 5Methane) + Methane = (C4H9+ • 6Methane)

By formula: (C4H9+ • 5CH4) + CH4 = (C4H9+ • 6CH4)

Quantity Value Units Method Reference Comment
Δr8.74kJ/molPHPMSHiraoka, Mori, et al., 1993gas phase; M
Quantity Value Units Method Reference Comment
Δr80.8J/mol*KPHPMSHiraoka, Mori, et al., 1993gas phase; M

(C4H9+ • 6Methane) + Methane = (C4H9+ • 7Methane)

By formula: (C4H9+ • 6CH4) + CH4 = (C4H9+ • 7CH4)

Quantity Value Units Method Reference Comment
Δr8.58kJ/molPHPMSHiraoka, Mori, et al., 1993gas phase; M
Quantity Value Units Method Reference Comment
Δr82.4J/mol*KPHPMSHiraoka, Mori, et al., 1993gas phase; M

(C4H9+ • 7Methane) + Methane = (C4H9+ • 8Methane)

By formula: (C4H9+ • 7CH4) + CH4 = (C4H9+ • 8CH4)

Quantity Value Units Method Reference Comment
Δr8.33kJ/molPHPMSHiraoka, Mori, et al., 1993gas phase; M
Quantity Value Units Method Reference Comment
Δr84.1J/mol*KPHPMSHiraoka, Mori, et al., 1993gas phase; M

(C4H9+ • 8Methane) + Methane = (C4H9+ • 9Methane)

By formula: (C4H9+ • 8CH4) + CH4 = (C4H9+ • 9CH4)

Quantity Value Units Method Reference Comment
Δr7.78kJ/molPHPMSHiraoka, Mori, et al., 1993gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr84.J/mol*KN/AHiraoka, Mori, et al., 1993gas phase; Entropy change calculated or estimated; M

C4H16F- + 5Methane = C5H20F-

By formula: C4H16F- + 5CH4 = C5H20F-

Quantity Value Units Method Reference Comment
Δr18.8kJ/molN/AHiraoka, Mizuno, et al., 2001gas phase; B
Quantity Value Units Method Reference Comment
Δr-12.3kJ/molTDAsHiraoka, Mizuno, et al., 2001gas phase; B

C5H20F- + 6Methane = C6H24F-

By formula: C5H20F- + 6CH4 = C6H24F-

Quantity Value Units Method Reference Comment
Δr17.6kJ/molN/AHiraoka, Mizuno, et al., 2001gas phase; B
Quantity Value Units Method Reference Comment
Δr-13.6kJ/molTDAsHiraoka, Mizuno, et al., 2001gas phase; B

C5MnO5+ + Methane = (C5MnO5+ • Methane)

By formula: C5MnO5+ + CH4 = (C5MnO5+ • CH4)

Quantity Value Units Method Reference Comment
Δr30.kJ/molICRCDHop and McMahon, 1991gas phase; Ar collision gas, ΔrH<; M

C6H24F- + 7Methane = C7H28F-

By formula: C6H24F- + 7CH4 = C7H28F-

Quantity Value Units Method Reference Comment
Δr13.8kJ/molN/AHiraoka, Mizuno, et al., 2001gas phase; B
Quantity Value Units Method Reference Comment
Δr-12.4kJ/molTDAsHiraoka, Mizuno, et al., 2001gas phase; B

C7H28F- + 8Methane = C8H32F-

By formula: C7H28F- + 8CH4 = C8H32F-

Quantity Value Units Method Reference Comment
Δr12.1kJ/molN/AHiraoka, Mizuno, et al., 2001gas phase; B
Quantity Value Units Method Reference Comment
Δr-15.3kJ/molTDAsHiraoka, Mizuno, et al., 2001gas phase; B

C8H32F- + 9Methane = C9H36F-

By formula: C8H32F- + 9CH4 = C9H36F-

Quantity Value Units Method Reference Comment
Δr9.62kJ/molN/AHiraoka, Mizuno, et al., 2001gas phase; B
Quantity Value Units Method Reference Comment
Δr-16.6kJ/molTDAsHiraoka, Mizuno, et al., 2001gas phase; B

C9H36F- + 10Methane = C10H40F-

By formula: C9H36F- + 10CH4 = C10H40F-

Quantity Value Units Method Reference Comment
Δr7.53kJ/molN/AHiraoka, Mizuno, et al., 2001gas phase; B
Quantity Value Units Method Reference Comment
Δr-17.4kJ/molTDAsHiraoka, Mizuno, et al., 2001gas phase; B

Chlorine anion + Methane = CH4Cl-

By formula: Cl- + CH4 = CH4Cl-

Quantity Value Units Method Reference Comment
Δr15.9kJ/molN/AHiraoka, Mizuno, et al., 2001gas phase; B
Quantity Value Units Method Reference Comment
Δr-9.04kJ/molTDAsHiraoka, Mizuno, et al., 2001gas phase; B

Cobalt ion (1+) + Methane = (Cobalt ion (1+) • Methane)

By formula: Co+ + CH4 = (Co+ • CH4)

Quantity Value Units Method Reference Comment
Δr82.8J/mol*KSIDTKemper, Bushnell, et al., 1993gas phase; ΔrS(530 K); M

Enthalpy of reaction

ΔrH° (kJ/mol) T (K) Method Reference Comment
90.0 (+6.7,-0.) CIDHaynes and Armentrout, 1996gas phase; guided ion beam CID; M
90.0 (+5.9,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M
94. (+2.,-0.) SIDTKemper, Bushnell, et al., 1993gas phase; ΔrS(530 K); M

(Cobalt ion (1+) • Methane) + Methane = (Cobalt ion (1+) • 2Methane)

By formula: (Co+ • CH4) + CH4 = (Co+ • 2CH4)

Quantity Value Units Method Reference Comment
Δr109.J/mol*KSIDTKemper, Bushnell, et al., 1993gas phase; ΔrS(500 K); M

Enthalpy of reaction

ΔrH° (kJ/mol) T (K) Method Reference Comment
95.8 (+5.0,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M
104. (+4.2,-0.) SIDTKemper, Bushnell, et al., 1993gas phase; ΔrS(500 K); M

(Cobalt ion (1+) • 2Methane) + Methane = (Cobalt ion (1+) • 3Methane)

By formula: (Co+ • 2CH4) + CH4 = (Co+ • 3CH4)

Quantity Value Units Method Reference Comment
Δr46.kJ/molSIDTKemper, Bushnell, et al., 1993gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr84.J/mol*KN/AKemper, Bushnell, et al., 1993gas phase; Entropy change calculated or estimated; M

Enthalpy of reaction

ΔrH° (kJ/mol) T (K) Method Reference Comment
41. (+5.0,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
3.477.SIDTKemper, Bushnell, et al., 1993gas phase; Entropy change calculated or estimated; M

(Cobalt ion (1+) • 3Methane) + Methane = (Cobalt ion (1+) • 4Methane)

By formula: (Co+ • 3CH4) + CH4 = (Co+ • 4CH4)

Enthalpy of reaction

ΔrH° (kJ/mol) T (K) Method Reference Comment
67.8 (+5.9,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Cobalt ion (1+) • Ethane) + Methane = (Cobalt ion (1+) • Methane • Ethane)

By formula: (Co+ • C2H6) + CH4 = (Co+ • CH4 • C2H6)

Quantity Value Units Method Reference Comment
Δr110.J/mol*KSIDTKemper, Bushnell, et al., 1993gas phase; ΔrS(490 K); M

Enthalpy of reaction

ΔrH° (kJ/mol) T (K) Method Reference Comment
102. (+4.6,-0.) SIDTKemper, Bushnell, et al., 1993gas phase; ΔrS(490 K); M

(Cobalt ion (1+) • Water) + Methane = (Cobalt ion (1+) • Methane • Water)

By formula: (Co+ • H2O) + CH4 = (Co+ • CH4 • H2O)

Quantity Value Units Method Reference Comment
Δr113.J/mol*KSIDTKemper, Bushnell, et al., 1993gas phase; ΔrS(525 K); M

Enthalpy of reaction

ΔrH° (kJ/mol) T (K) Method Reference Comment
108. (+3.,-0.) SIDTKemper, Bushnell, et al., 1993gas phase; ΔrS(525 K); M

(Cobalt ion (1+) • Hydrogen) + Methane = (Cobalt ion (1+) • Methane • Hydrogen)

By formula: (Co+ • H2) + CH4 = (Co+ • CH4 • H2)

Quantity Value Units Method Reference Comment
Δr91.2J/mol*KSIDTKemper, Bushnell, et al., 1993gas phase; switching reaction(Co+)2H2, ΔrS(440 K); Kemper, Bushnell, et al., 1993, 2; M

Enthalpy of reaction

ΔrH° (kJ/mol) T (K) Method Reference Comment
94.6 (+5.0,-0.) SIDTKemper, Bushnell, et al., 1993gas phase; switching reaction(Co+)2H2, ΔrS(440 K); Kemper, Bushnell, et al., 1993, 2; M

Fluorine anion + Methane = CH4F-

By formula: F- + CH4 = CH4F-

Quantity Value Units Method Reference Comment
Δr28.0kJ/molN/AHiraoka, Mizuno, et al., 2001gas phase; B
Quantity Value Units Method Reference Comment
Δr6.82kJ/molTDAsHiraoka, Mizuno, et al., 2001gas phase; B

Iron ion (1+) + Methane = (Iron ion (1+) • Methane)

By formula: Fe+ + CH4 = (Fe+ • CH4)

Enthalpy of reaction

ΔrH° (kJ/mol) T (K) Method Reference Comment
57. (+3.,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Iron ion (1+) • Methane) + Methane = (Iron ion (1+) • 2Methane)

By formula: (Fe+ • CH4) + CH4 = (Fe+ • 2CH4)

Enthalpy of reaction

ΔrH° (kJ/mol) T (K) Method Reference Comment
97.1 (+4.2,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Iron ion (1+) • 2Methane) + Methane = (Iron ion (1+) • 3Methane)

By formula: (Fe+ • 2CH4) + CH4 = (Fe+ • 3CH4)

Enthalpy of reaction

ΔrH° (kJ/mol) T (K) Method Reference Comment
99.2 (+5.9,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Iron ion (1+) • 3Methane) + Methane = (Iron ion (1+) • 4Methane)

By formula: (Fe+ • 3CH4) + CH4 = (Fe+ • 4CH4)

Enthalpy of reaction

ΔrH° (kJ/mol) T (K) Method Reference Comment
74.1 (+5.9,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

Hydronium cation + Methane = (Hydronium cation • Methane)

By formula: H3O+ + CH4 = (H3O+ • CH4)

Quantity Value Units Method Reference Comment
Δr33.kJ/molHPMSBennet and Field, 1972, 2gas phase; M
Quantity Value Units Method Reference Comment
Δr85.4J/mol*KHPMSBennet and Field, 1972, 2gas phase; M

(Hydronium cation • Methane) + Methane = (Hydronium cation • 2Methane)

By formula: (H3O+ • CH4) + CH4 = (H3O+ • 2CH4)

Quantity Value Units Method Reference Comment
Δr14.kJ/molHPMSBennet and Field, 1972, 2gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Δr34.J/mol*KHPMSBennet and Field, 1972, 2gas phase; Entropy change is questionable; M

H3S+ + Methane = (H3S+ • Methane)

By formula: H3S+ + CH4 = (H3S+ • CH4)

Quantity Value Units Method Reference Comment
Δr16.kJ/molHPMSBennet and Field, 1972gas phase; M
Quantity Value Units Method Reference Comment
Δr75.7J/mol*KHPMSBennet and Field, 1972gas phase; M

NH4+ + Methane = (NH4+ • Methane)

By formula: H4N+ + CH4 = (H4N+ • CH4)

Quantity Value Units Method Reference Comment
Δr15.kJ/molHPMSBennet and Field, 1972gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Δr64.9J/mol*KHPMSBennet and Field, 1972gas phase; Entropy change is questionable; M

Iodide + Methane = CH4I-

By formula: I- + CH4 = CH4I-

Quantity Value Units Method Reference Comment
Δr10.9kJ/molN/AHiraoka, Mizuno, et al., 2001gas phase; B
Quantity Value Units Method Reference Comment
Δr-11.6kJ/molTDAsHiraoka, Mizuno, et al., 2001gas phase; B

Magnesium ion (1+) + Methane = (Magnesium ion (1+) • Methane)

By formula: Mg+ + CH4 = (Mg+ • CH4)

Quantity Value Units Method Reference Comment
Δr28. ± 6.7kJ/molCIDTAndersen, Muntean, et al., 2000RCD

(Magnesium ion (1+) • Methane) + Methane = (Magnesium ion (1+) • 2Methane)

By formula: (Mg+ • CH4) + CH4 = (Mg+ • 2CH4)

Quantity Value Units Method Reference Comment
Δr15. ± 6.7kJ/molCIDTAndersen, Muntean, et al., 2000RCD

Sodium ion (1+) + Methane = (Sodium ion (1+) • Methane)

By formula: Na+ + CH4 = (Na+ • CH4)

Quantity Value Units Method Reference Comment
Δr30.kJ/molHPMSCastleman, Peterson, et al., 1983gas phase; M
Quantity Value Units Method Reference Comment
Δr59.0J/mol*KHPMSCastleman, Peterson, et al., 1983gas phase; M

Mass spectrum (electron ionization)

Go To: Top, Gas phase ion energetics data, Ion clustering data, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin D.HENNEBERG, MAX-PLANCK INSTITUTE, MULHEIM, WEST GERMANY
NIST MS number 61313

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References

Go To: Top, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

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Plessis, P.; Marmet, P.; Dutil, R., Ionization and appearance potentials of CH4 by electron impact, J. Phys. B:, 1983, 16, 1283. [all data]

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Kimura, K.; Katsumata, S.; Achiba, Y.; Yamazaki, T.; Iwata, S., Ionization energies, Ab initio assignments, and valence electronic structure for 200 molecules in Handbook of HeI Photoelectron Spectra of Fundamental Organic Compounds, Japan Scientific Soc. Press, Tokyo, 1981. [all data]

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Bieri, G.; Burger, F.; Heilbronner, E.; Maier, J.P., Valence ionization enrgies of hydrocarbons, Helv. Chim. Acta, 1977, 60, 2213. [all data]

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Selim, E.T.M.; El-Kholy, S.B., Mass spectrometric ionization and dissociation of methane, Indian J. Pure Appl. Phys., 1975, 13, 233. [all data]

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Debies, T.P.; Rabalais, J.W., Calculated photoionization cross-sections and angular distributions for the isoelectronic series Ne, HF, H2O, NH3, and CH4, J. Am. Chem. Soc., 1975, 97, 487. [all data]

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Rabalais, J.W.; Debies, T.P.; Berkosky, J.L.; Huang, J.-T.J.; Ellison, F.O., Calculated photoionization cross sections relative experimental photoionization intensities for a selection of small molecules, J. Chem. Phys., 1974, 61, 516. [all data]

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Morrison, J.D.; Traeger, J.C., Ionization and dissociation by electron impact. III. CH4 and SiH4, Int. J. Mass Spectrom. Ion Phys., 1973, 11, 289. [all data]

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Potts, A.W.; Price, W.C., The photoelectron spectra of methane, silane germane and stannane, Proc. R. Soc. London A:, 1972, 165. [all data]

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Finney, C.D.; Harrison, A.G., A third-derivative method for determining electron-impact onset potentials, Int. J. Mass Spectrom. Ion Phys., 1972, 9, 221. [all data]

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Bergmark, T.; Rabalais, J.W.; Werme, L.O.; Karlsson, L.; Siegbahn, K., High-resolution electron spectra of methane, thiophene, 2-bromothiphene, and 3-bromothiophene in Electron Spectroscopy, ed. D.A. Shirley (North-Holland Pub. Co., Amsterdam), 1972. [all data]

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Rabalais, J.W.; Bergmark, T.; Werme, L.O.; Karlsson, L.; Siegbahn, K., The Jahn-Teller effect in the electron spectrum of methane, Phys. Scr., 1971, 3, 13. [all data]

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Chupka, W.A.; Berkowitz, J., Photoionization of methane: ionization potential and proton affinity of CH4, J. Chem. Phys., 1971, 54, 4256. [all data]

Pullen, Carlson, et al., 1970
Pullen, B.P.; Carlson, T.A.; Moddeman, W.E.; Schweitzer, G.K.; Bull, W.E., Photoelectron spectra of methane, silane, germane, methyl fluoride, difluoromethane, and trifluoromethane, J. Chem. Phys., 1970, 53, 768. [all data]

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Brundle, C.R.; Robin, M.B.; Basch, H., Electronic energies and electronic structures of the fluoromethanes, J. Chem. Phys., 1970, 53, 2196. [all data]

Lossing and Semeluk, 1969
Lossing, F.P.; Semeluk, G.P., Threshold ionization efficiency curves for monoenergetic electron impact on H2, D2, CH4 and CD4, Intern. J. Mass Spectrom. Ion Phys., 1969, 2, 408. [all data]

Williams and Hamill, 1968
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Villarejo, Stockbauer, et al., 1968
Villarejo, D.; Stockbauer, R.; Inghram, M.G., Measurement of threshold electrons in the photoionization of small molecules, Bull. Am. Phys. Soc., 1968, 13, 39. [all data]

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Baker, Baker, et al., 1968
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Brehm, B., Massenspektrometrische Untersuchung der Photoionisation von Molekulen, Z. Naturforsch., 1966, 21a, 196. [all data]

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Harshbarger, W.R.; Robin, M.B.; Lassettre, E.N., The electron impact spectra of the fluoromethanes, J. Electron Spectrosc. Relat. Phenom., 1973, 1, 319. [all data]

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McCulloh, K.E.; Dibeler, V.H., Enthalpy of formation of methyl and methylene radicals of photoionization studies of methane and ketene, J. Chem. Phys., 1976, 64, 4445. [all data]

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Check, C.E.; Faust, T.O.; Bailey, J.M.; Wright, B.J.; Gilbert, T.M.; Sunderlin, L.S., Addition of Polarization and Diffuse Functions to the LANL2DZ Basis Set for P-Block Elements, J. Phys. Chem. A,, 2001, 105, 34, 8111, https://doi.org/10.1021/jp011945l . [all data]

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Hiraoka, K.; Mizuno, T.; Iino, T.; Eguchi, D.; Yamabe, S., Characteristic changes of bond energies for gas-phase cluster ions of halide ions with methane and chloromethanes, J. Phys. Chem. A, 2001, 105, 20, 4887-4893, https://doi.org/10.1021/jp010143n . [all data]

Bennet and Field, 1972
Bennet, S.L.; Field, F.H., Reversible Reactions of Gaseous Ions. VI. The NH3 - CH4, H2S - CH4 and CF4 - CH4 Systems at Low Temperatures, J. Am. Chem. Soc., 1972, 94, 18, 6305, https://doi.org/10.1021/ja00773a009 . [all data]

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Hiraoka, K.; Mori, T., Gas - Phase Stability and Structure of Cluster Ions CH5+(CH4)n with n = 1 - 9, Chem. Phys. Lett., 1989, 161, 2, 111, https://doi.org/10.1016/0009-2614(89)85040-7 . [all data]

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Hiraoka, K.; Kebarle, P., Energetics, Stabilities and Possible Structures of CH5+(CH4)n Clusters from Gas Phase Study of Equilibria CH5+(CH4)n - 1 + CH4 = CH5+(CH4)n for n = 1 - 5, J. Am. Chem. Soc., 1975, 97, 15, 4179, https://doi.org/10.1021/ja00848a005 . [all data]

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Field, F.H.; Beggs, D.P., Reversible Reactions of Gas Phase Ions. III. Studies with Methane at 0.1-1.0 Torr and 77-300 K, J. Am. Chem. Soc., 1971, 93, 7, 1585, https://doi.org/10.1021/ja00736a003 . [all data]

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Hiraoka, K.; Mori, T.; Yamabe, S., The Gas-Phase Solvation of C2H5+, s-C3H7+ and s-C4H9+ with CH4. The Isomeric Structures of C2H5+ and C2H5+.CH4, Chem. Phys. Lett., 1993, 207, 2-3, 178, https://doi.org/10.1016/0009-2614(93)87011-Q . [all data]

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Hiraoka, K.; Kebarle, P., Stabilities and Energetics of Pentacoordinated Carbonium Ions. The Isomeric C2H7+ Ions and Some Higher Analogues: C3H9+ and C4H11+, J. Am. Chem. Soc., 1976, 98, 20, 6119, https://doi.org/10.1021/ja00436a009 . [all data]

Hop and McMahon, 1991
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Notes

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